CID 156862409

2-bromo-4-(chloromethyl)-5-fluoro-3-methylpyridine

Structural Information

Molecular Formula
C7H6BrClFN
SMILES
CC1=C(C(=CN=C1Br)F)CCl
InChI
InChI=1S/C7H6BrClFN/c1-4-5(2-9)6(10)3-11-7(4)8/h3H,2H2,1H3
InChIKey
IDAARUVYOQSUMC-UHFFFAOYSA-N
Compound name
2-bromo-4-(chloromethyl)-5-fluoro-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

236.93562 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.94290 135.3
[M+Na]+ 259.92484 150.5
[M-H]- 235.92834 139.8
[M+NH4]+ 254.96944 157.2
[M+K]+ 275.89878 137.5
[M+H-H2O]+ 219.93288 135.6
[M+HCOO]- 281.93382 151.4
[M+CH3COO]- 295.94947 188.1
[M+Na-2H]- 257.91029 142.8
[M]+ 236.93507 155.4
[M]- 236.93617 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe